SCHEMBL2954552

SCHEMBL2954552

CCS(=O)(=O)CCCO

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3114794 0.92 SMN1; SMN2 (0.43)
SCHEMBL3168818 0.84 CA2 (0.39)
SCHEMBL4613454 0.84 CA2 (0.39)
SCHEMBL3120746 0.83 ALDH1A1 (0.50)
SCHEMBL3112263 0.83 ALDH1A1 (0.43)
SCHEMBL1149060 0.81
SCHEMBL3324611 0.81 CA2 (0.38)
SCHEMBL2358508 0.81 CA2 (0.38)
SCHEMBL14814061 0.81 SMN1; SMN2 (0.52)
SCHEMBL777041 0.81 CA2 (0.48)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963027-B1 TRICYCLIC COMPOUND AND USE THEREOF TIUMBIO CO LTD (KR) 2018-12-26 EP claimed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US claimed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US claimed
US-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS KANG, XINSHAN (CN) 2016-07-14 US claimed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US claimed
EP-2963027-A1 TRICYCLIC COMPOUND AND USE THEREOF SK Chemicals Co., Ltd. (KR) 2016-01-06 EP claimed
EP-0885940-B1 Ink jet inks comprising anti-curl agents and printing processes XEROX CORP (US) 2008-02-20 EP claimed
US-11833210-B2 ASH1L inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-12-05 US disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-20230246192-A1 Elastomer-Protected Anode and Lithium Battery GLOBAL GRAPHENE GROUP, INC. (US) 2023-08-03 US disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4299834-A INOTROPIC ACTIVITY BOEHRINGER INGELHEIM GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-11-10 US disclosed